CHEBI:68057 - protubonine A

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ChEBI Name protubonine A ChEBI ID CHEBI:68057 Definition An organic heterotetracyclic compound that is 6,10b,11,11a-tetrahydro-H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-,4(3H,5aH)-dione substituted by an acetyl group at position 6, a hydroxy group at position 10b and a 2-methylpropyl group at position 3. It has been isolated from in Aspergillus species. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H23N3O4 Net Charge 0 Average Mass 357.40360 Monoisotopic Mass 357.16886 InChI InChI=1S/C19H23N3O4/c1-10(2)8-13-17(25)22-15(16(24)20-13)9-19(26)12-6-4-5-7-14(12)21(11(3)23)18(19)22/h4-7,10,13,15,18,26H,8-9H2,1-3H3,(H,20,24)/t13-,15+,18-,19+/m0/s1 InChIKey IQSAULADRNRYOT-ARKSPBFVSA-N SMILES CC(C)C[C@@H]1NC(=O)[C@H]2C[C@]3(O)[C@H](N2C1=O)N(C(C)=O)c1ccccc31 Metabolite of Species Details Aspergillus sp. (NCBI:txid5065) Ethylacetate extract of combined agar media of strain SF 5044 See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing protubonine A (CHEBI:68057) has role Aspergillus metabolite (CHEBI:76956) protubonine A (CHEBI:68057) is a acetamides (CHEBI:22160) protubonine A (CHEBI:68057) is a dipeptide (CHEBI:46761) protubonine A (CHEBI:68057) is a organic heterotetracyclic compound (CHEBI:38163) protubonine A (CHEBI:68057) is a tertiary alcohol (CHEBI:26878) Incoming protubonine B (CHEBI:68058) has functional parent protubonine A (CHEBI:68057) IUPAC Name (3S,5aR,10bR,11aR)-6-acetyl-10b-hydroxy-3-(2-methylpropyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione Registry Number Type Source 21548697 Reaxys Registry Number Reaxys Citation Type Source 21366228 PubMed citation Europe PMC Last Modified 13 January 2014